4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine

C17H17N3 — CID 10378080

IUPAC4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine
SMILESCc1ccc(Nc2cc(C)c3ccccc3n2)c(N)c1
InChIInChI=1S/C17H17N3/c1-11-7-8-16(14(18)9-11)20-17-10-12(2)13-5-3-4-6-15(13)19-17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyOSNGGHXXUAHSTG-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.18
Rot. Bonds2

About 4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine

4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine (PubChem CID 10378080) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine
PubChem CID10378080
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine
SMILESCc1ccc(Nc2cc(C)c3ccccc3n2)c(N)c1
InChIInChI=1S/C17H17N3/c1-11-7-8-16(14(18)9-11)20-17-10-12(2)13-5-3-4-6-15(13)19-17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyOSNGGHXXUAHSTG-UHFFFAOYSA-N
XLogP4.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine
CID 11537178
N-(2-methoxy-5-methylphenyl)-4-methylquinolin-2-amine
CID 619056
N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride
CID 56728827
4-methyl-N-phenylquinolin-2-amine
CID 616278
N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine
CID 5204152
N-(2-methoxyphenyl)-4-methylquinolin-2-amine
CID 847633
2-(2,4-dimethylanilino)quinoline-4-carbonitrile
CID 63883902
2-(2,4-dimethylanilino)quinoline-4-carboxylate
CID 4166548
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171
N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride
CID 56728823
4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine
CID 114264058
4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine
CID 118094461

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine (CID 10378080) is 4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine is Cc1ccc(Nc2cc(C)c3ccccc3n2)c(N)c1.
What is the InChIKey of 4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine?
The InChIKey is OSNGGHXXUAHSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-7-8-16(14(18)9-11)20-17-10-12(2)13-5-3-4-6-15(13)19-17/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine?
4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine has a molecular weight of 263.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 10378080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).